PubChemLite - Me-pfsas(n7) (C11HF23O4S)

Structural Information

Molecular Formula

SMILES

C(C(OC(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C11HF23O4S/c12-1(7(23,24)25,8(26,27)28)9(29,30)38-10(31,32)5(19,20)3(15,16)2(13,14)4(17,18)6(21,22)11(33,34)39(35,36)37/h(H,35,36,37)

InChIKey

CHSXUTCKDLVDHI-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]heptane-1-sulfonic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	666.93013	187.0
[M+Na]+	688.91207	188.5
[M-H]-	664.91557	197.7
[M+NH4]+	683.95667	198.5
[M+K]+	704.88601	201.6
[M+H-H2O]+	648.92011	172.9
[M+HCOO]-	710.92105	205.5
[M+CH3COO]-	724.93670	252.5
[M+Na-2H]-	686.89752	186.9
[M]+	665.92230	188.1
[M]-	665.92340	188.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

666.93013

187.0

[M+Na]+

688.91207

188.5

[M-H]-

664.91557

197.7

[M+NH4]+

683.95667

198.5

[M+K]+

704.88601

201.6

[M+H-H2O]+

648.92011

172.9

[M+HCOO]-

710.92105

205.5

[M+CH3COO]-

724.93670

252.5

[M+Na-2H]-

686.89752

186.9

[M]+

665.92230

188.1

[M]-

665.92340

188.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Me-pfsas(n7)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe